General Information of the Compound
| Compound ID |
CP0945321
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| Compound Name |
N'-(3,4-Dimethoxybenzylidene)-3-(4-(hydroxymethyl)-3-methyl-1H-indol-1-yl)propanehydrazide
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| Structure |
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| Formula |
C22H25N3O4
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| Molecular Weight |
395.459
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| Canonical SMILES |
COc1ccc(/C=N/NC(=O)CCn2cc(C)c3c(CO)cccc32)cc1OC
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| InChI |
InChI=1S/C22H25N3O4/c1-15-13-25(18-6-4-5-17(14-26)22(15)18)10-9-21(27)24-23-12-16-7-8-19(28-2)20(11-16)29-3/h4-8,11-13,26H,9-10,14H2,1-3H3,(H,24,27)/b23-12+
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| InChIKey |
MFXBKWXWXHALNK-FSJBWODESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound